Vitas-M small molecule compound
2-[({5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STL391314
SMILES CCn1c(SCc2nn3c(n2)c2cnn(c2nc3)c2ccccc2)nnc1C1CC1c1ccc(cc1)Cl
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C26H22ClN9S MW 528.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN9S/c1-2-34-25(20-12-19(20)16-8-10-17(27)11-9-16)31-32-26(34)37-14-22-30-24-21-13-29-36(18-6-4-3-5-7-18)23(21)28-15-35(24)33-22/h3-11,13,15,19-20H,2,12,14H2,1H3InChIKey
NTKSWXLAXDEDOP-UHFFFAOYSA-NSynonyms
832114-96-22(((5(2(4chlorophenyl)cyclopropyl)4ethyl4H124triazol3yl)sulfanyl)methyl)7phenyl7Hpyrazolo(43e)(124)triazolo(15c)pyrimidine
832114962
CCN1C(=NN=C1SCC2=NN3C=NC4=C(C3=N2)C=NN4C5=CC=CC=C5)C6CC6C7=CC=C(C=C7)Cl
InChI=1SC26H22ClN9Sc123425(201219(20)1681017(27)11916)313226(34)371422302421132936(186435718)23(21)281535(24)3322h31113151920H21214H21H3
MFCD04053344
ZINC000002802779
ZINC000097945460
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